SCHEMBL25166190

SCHEMBL25166190

CNc1cc(C)nc(Nc2cc3c(c(C4=CCNCCC4)c2)OCCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 10/20 0.51
▸ EHMT1 Q9H9B1 10/20 0.51
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30329919 1.00 EHMT2 (0.51) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL30330220 0.93 EHMT2 (0.51) EHMT2EHMT1SMN1; SMN2
SCHEMBL25166186 0.93 EHMT2 (0.51) EHMT2EHMT1SMN1; SMN2
SCHEMBL25165900 0.89 EHMT2 (0.51) EHMT2EHMT1
SCHEMBL25166159 0.87 EHMT2 (0.68) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL31168666 0.84 EHMT2 (0.49) EHMT2EHMT1
SCHEMBL30329782 0.82 EHMT2 (0.49) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL25166243 0.82 EHMT2 (0.49) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL25166432 0.79 EHMT2 (0.68) EHMT2EHMT1
SCHEMBL30330204 0.79 EHMT2 (0.68) EHMT2EHMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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